SCHEMBL10041769

SCHEMBL10041769

C=C(C)C(=O)OCC[N+](C)(C)CCCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 7/20 0.53
TSHR P16473 3/20 0.45
THRB P10828 1/20 0.42
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRM5 P08912 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
PGR P06401 1/20 0.35
HTR1A P08908 1/20 0.35
CHRNB2 P17787 1/20 0.35
TBXA2R P21731 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Water SCHEMBL7094496 0.98 BBOX1 (0.51) BBOX1TSHRTHRBPOLBAPEX1
Betaine SCHEMBL5836146 0.93 BBOX1 (0.46) BBOX1TSHRTHRBPOLBAPEX1
Bromide SCHEMBL21931193 0.92 TSHR (0.45) BBOX1TSHRTHRBPOLBAPEX1
Bromide SCHEMBL21931269 0.92 TSHR (0.45) BBOX1TSHRTHRBPOLBAPEX1
SCHEMBL30119542 0.90 THRB (0.44) BBOX1TSHRTHRBPOLBAPEX1
SCHEMBL721565 0.90 THRB (0.44) BBOX1TSHRTHRBPOLBAPEX1
SCHEMBL18136174 0.89 TSHR (0.46) BBOX1TSHRTHRBPOLBAPEX1
Water SCHEMBL16029492 0.89 THRB (0.43) BBOX1TSHRTHRBPOLBAPEX1
Betaine SCHEMBL5168008 0.88 BBOX1 (0.47) BBOX1TSHRTHRBPOLBAPEX1
SCHEMBL23375334 0.86 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9579608-B2 Composite membranes and methods of preparation thereof GLOBALFOUNDRIES INC. (KY) 2017-02-28 US disclosed
US-9579608-B2 Composite membranes and methods of preparation thereof GLOBALFOUNDRIES INC. (KY) 2017-02-28 US disclosed
US-20160296322-A1 SYNTHETIC HEART VALVES COMPOSED OF ZWITTERIONIC POLYMERS BOSTON SCIENTIFIC SCIMED, INC. 2016-10-13 US disclosed
US-9352286-B2 Composite filtration membranes and methods of preparation thereof GLOBALFOUNDRIES INC. (KY) 2016-05-31 US disclosed
US-9352286-B2 Composite filtration membranes and methods of preparation thereof GLOBALFOUNDRIES INC. (KY) 2016-05-31 US disclosed
US-20150202575-A1 COMPOSITE MEMBRANES AND METHODS OF PREPARATION THEREOF GLOBALFOUNDRIES U.S. INC. 2015-07-23 US disclosed
US-20150202575-A1 COMPOSITE MEMBRANES AND METHODS OF PREPARATION THEREOF GLOBALFOUNDRIES U.S. INC. 2015-07-23 US disclosed
US-9022227-B2 Composite membranes and methods of preparation thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-05-05 US disclosed
US-9022227-B2 Composite membranes and methods of preparation thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-05-05 US disclosed
US-20140217014-A1 COMPOSITE FILTRATION MEMBRANES AND METHODS OF PREPARATION THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-08-07 US disclosed
US-20140217014-A1 COMPOSITE FILTRATION MEMBRANES AND METHODS OF PREPARATION THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-08-07 US disclosed
US-20120241373-A1 COMPOSITE MEMBRANES AND METHODS OF PREPARATION THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-09-27 US disclosed
US-20120241373-A1 COMPOSITE MEMBRANES AND METHODS OF PREPARATION THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-09-27 US disclosed
US-20120048799-A1 COMPOSITE FILTRATION MEMBRANES AND METHODS OF PREPARATION THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-03-01 US disclosed